#------------------------------------------------------------------------------
#$Date: 2025-01-11 10:06:07 +0200 (Sat, 11 Jan 2025) $
#$Revision: 297289 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/77/7127763.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7127763
loop_
_publ_author_name
'Espinosa-Jalapa, Noel Angel'
'Berg, Nele'
'Seidl, Michael'
'Shenderovich, Ilya G.'
'Gschwind, Ruth M.'
'Bauer, Jonathan O.'
_publ_section_title
;
 Complexation behaviour of LiCl and LiPF₆- model studies in the
 solid-state and in solution using a bidentate picolyl-based ligand.
;
_journal_issue                   87
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              13335
_journal_page_last               13338
_journal_paper_doi               10.1039/d0cc05682k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C26 H26 N2 Si'
_chemical_formula_sum            'C26 H26 N2 Si'
_chemical_formula_weight         394.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-06-24
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.05.22 svn.r1d9e7f8d for OlexSys, GUI svn.r6115)
;
_audit_update_record
;
2020-07-22 deposited with the CCDC.	2020-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                100.776(2)
_cell_angle_beta                 93.428(2)
_cell_angle_gamma                109.092(2)
_cell_formula_units_Z            4
_cell_length_a                   10.2134(2)
_cell_length_b                   14.0734(3)
_cell_length_c                   16.2616(3)
_cell_measurement_reflns_used    10888
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      71.3130
_cell_measurement_theta_min      3.8940
_cell_volume                     2151.38(8)
_computing_cell_refinement       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2548
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -98.00 -22.00   1.00    2.00    --  -39.78 125.00-180.00   76
  2  ω      1.00  87.00   1.00    2.00    --   39.78-125.00  90.00   86
  3  ω    -43.00  27.00   1.00    2.00    --   39.78 -19.00-120.00   70
  4  ω    -43.00  27.00   1.00    2.00    --   39.78 -19.00-180.00   70
  5  ω    -43.00  27.00   1.00    2.00    --   39.78 -19.00 120.00   70
  6  ω     25.00  84.00   1.00   12.00    --  104.85-111.00 -30.00   59
  7  ω     80.00 178.00   1.00   12.00    --  104.85  77.00 150.00   98
  8  ω     76.00 178.00   1.00   12.00    --  104.85  45.00-150.00  102
  9  ω     71.00 178.00   1.00   12.00    --  104.85  30.00 -90.00  107
 10  ω     17.00 143.00   1.00   12.00    --  104.85 -88.00 -14.16  126
 11  ω     17.00 143.00   1.00   12.00    --  104.85 -88.00  62.17  126
 12  ω     76.00 178.00   1.00   12.00    --  104.85  45.00 120.00  102
 13  ω     17.00 143.00   1.00   12.00    --  104.85 -88.00 146.09  126
 14  ω     29.00  71.00   1.00   12.00    --  104.85 -61.00-120.00   42
 15  ω     18.00 143.00   1.00   12.00    --  104.85 -87.00-133.63  125
 16  ω      6.00  97.00   1.00    2.00    --   39.78  73.00-160.13   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0196191000
_diffrn_orient_matrix_UB_12      0.0709602000
_diffrn_orient_matrix_UB_13      -0.0632536000
_diffrn_orient_matrix_UB_21      -0.0315275000
_diffrn_orient_matrix_UB_22      -0.0941030000
_diffrn_orient_matrix_UB_23      -0.0736346000
_diffrn_orient_matrix_UB_31      -0.1566478000
_diffrn_orient_matrix_UB_32      -0.0142605000
_diffrn_orient_matrix_UB_33      -0.0061264000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17359
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.507
_diffrn_reflns_theta_min         3.406
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.257
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.54a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Hexane'
_exptl_crystal_size_max          0.756
_exptl_crystal_size_mid          0.616
_exptl_crystal_size_min          0.216
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         8084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0519P)²+0.6022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0969
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7390
_reflns_number_total             8084
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc05682k2.cif
_cod_data_source_block           ph2silut2_ap_abs_gaus
_cod_depositor_comments
;

2025-01-11
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C52 H52 N4 Si2'
_cod_original_formula_weight         789.15
_cod_original_formula_moiety         '2(C26 H26 N2 Si)'
_cod_original_formula_units_Z            2
_cod_database_code               7127763
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C52H52N4Si2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 98.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C1(H1A,H1B), C27(H27A,H27B), C34(H34A,H34B)
2.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C20(H20), C22(H22), C16(H16), C12(H12), C10(H10), C29(H29),
 C52(H52), C42(H42), C46(H46), C11(H11), C36(H36), C18(H18), C48(H48), C19(H19),
  C51(H51), C49(H49), C17(H17), C31(H31), C43(H43), C50(H50), C30(H30),
 C38(H38), C23(H23), C3(H3), C25(H25), C37(H37), C5(H5), C44(H44), C24(H24),
 C45(H45), C4(H4)
2.c Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C40(H40A,H40B,H40C), C14(H14A,H14B,H14C), C7(H7A,H7B,H7C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.588
_oxdiff_exptl_absorpt_empirical_full_min 0.728
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.32641(3) 0.25403(2) 0.88240(2) 0.01945(9) Uani 1 1 d . . . . .
Si2 Si 0.78634(4) 0.23957(3) 0.49105(2) 0.02040(9) Uani 1 1 d . . . . .
N4 N 0.53268(12) 0.23280(9) 0.31213(7) 0.0244(2) Uani 1 1 d . . . . .
N3 N 0.71956(12) 0.42753(8) 0.65075(7) 0.0242(2) Uani 1 1 d . . . . .
N2 N 0.25018(12) 0.45955(8) 0.82074(7) 0.0235(2) Uani 1 1 d . . . . .
N1 N 0.09195(12) 0.20900(9) 1.04201(7) 0.0257(2) Uani 1 1 d . . . . .
C9 C 0.22434(13) 0.42165(9) 0.89053(8) 0.0213(3) Uani 1 1 d . . . . .
C21 C 0.31381(14) 0.22198(9) 0.76421(8) 0.0220(3) Uani 1 1 d . . . . .
C41 C 0.77479(13) 0.18199(10) 0.58713(8) 0.0212(3) Uani 1 1 d . . . . .
C8 C 0.33641(14) 0.39015(10) 0.92952(8) 0.0224(3) Uani 1 1 d . . . . .
H8A H 0.330103 0.396836 0.990725 0.027 Uiso 1 1 calc R U . . .
H8B H 0.428714 0.438376 0.923094 0.027 Uiso 1 1 calc R U . . .
C28 C 0.68970(15) 0.40057(10) 0.56623(9) 0.0251(3) Uani 1 1 d . . . . .
C15 C 0.48565(13) 0.23317(10) 0.92787(8) 0.0216(3) Uani 1 1 d . . . . .
C35 C 0.60650(14) 0.17373(10) 0.32930(8) 0.0239(3) Uani 1 1 d . . . . .
C2 C 0.14430(13) 0.14569(10) 0.99273(9) 0.0241(3) Uani 1 1 d . . . . .
C26 C 0.41633(15) 0.19375(10) 0.72291(9) 0.0260(3) Uani 1 1 d . . . . .
H26 H 0.498949 0.196863 0.755118 0.031 Uiso 1 1 calc R U . . .
C47 C 0.94332(14) 0.22900(10) 0.44094(8) 0.0226(3) Uani 1 1 d . . . . .
C13 C 0.15027(14) 0.48485(10) 0.78236(9) 0.0250(3) Uani 1 1 d . . . . .
C32 C 0.61783(14) 0.43942(10) 0.69631(9) 0.0245(3) Uani 1 1 d . . . . .
C20 C 0.49251(15) 0.13379(11) 0.91123(9) 0.0265(3) Uani 1 1 d . . . . .
H20 H 0.413288 0.077823 0.881530 0.032 Uiso 1 1 calc R U . . .
C22 C 0.19353(15) 0.21619(11) 0.71438(9) 0.0273(3) Uani 1 1 d . . . . .
H22 H 0.122248 0.234666 0.740863 0.033 Uiso 1 1 calc R U . . .
C16 C 0.60378(14) 0.31300(10) 0.97235(9) 0.0258(3) Uani 1 1 d . . . . .
H16 H 0.601957 0.381190 0.985539 0.031 Uiso 1 1 calc R U . . .
C1 C 0.15941(14) 0.15926(10) 0.90427(9) 0.0260(3) Uani 1 1 d . . . . .
H1A H 0.081085 0.179861 0.884788 0.031 Uiso 1 1 calc R U . . .
H1B H 0.146831 0.090953 0.868500 0.031 Uiso 1 1 calc R U . . .
C12 C 0.02357(14) 0.47585(10) 0.81293(9) 0.0268(3) Uani 1 1 d . . . . .
H12 H -0.044611 0.495110 0.784589 0.032 Uiso 1 1 calc R U . . .
C10 C 0.09971(15) 0.40988(10) 0.92487(9) 0.0264(3) Uani 1 1 d . . . . .
H10 H 0.084283 0.382955 0.974231 0.032 Uiso 1 1 calc R U . . .
C39 C 0.51413(14) 0.24322(10) 0.23206(9) 0.0257(3) Uani 1 1 d . . . . .
C29 C 0.56058(16) 0.38889(11) 0.52439(9) 0.0302(3) Uani 1 1 d . . . . .
H29 H 0.543025 0.371033 0.464479 0.036 Uiso 1 1 calc R U . . .
C52 C 0.95716(15) 0.13189(10) 0.41699(9) 0.0262(3) Uani 1 1 d . . . . .
H52 H 0.884164 0.072221 0.423214 0.031 Uiso 1 1 calc R U . . .
C42 C 0.71474(14) 0.07542(10) 0.57943(9) 0.0260(3) Uani 1 1 d . . . . .
H42 H 0.681491 0.032029 0.524810 0.031 Uiso 1 1 calc R U . . .
C27 C 0.80289(15) 0.38001(10) 0.51825(9) 0.0267(3) Uani 1 1 d . . . . .
H27A H 0.894641 0.420142 0.552427 0.032 Uiso 1 1 calc R U . . .
H27B H 0.801246 0.405001 0.465327 0.032 Uiso 1 1 calc R U . . .
C34 C 0.61936(14) 0.15986(11) 0.41841(9) 0.0262(3) Uani 1 1 d . . . . .
H34A H 0.605667 0.086356 0.415897 0.031 Uiso 1 1 calc R U . . .
H34B H 0.541116 0.174111 0.445039 0.031 Uiso 1 1 calc R U . . .
C46 C 0.82393(15) 0.24256(11) 0.66841(9) 0.0287(3) Uani 1 1 d . . . . .
H46 H 0.867934 0.314944 0.675792 0.034 Uiso 1 1 calc R U . . .
C11 C -0.00143(15) 0.43834(11) 0.88540(9) 0.0296(3) Uani 1 1 d . . . . .
H11 H -0.086822 0.432117 0.907909 0.036 Uiso 1 1 calc R U . . .
C36 C 0.66639(15) 0.12508(11) 0.26745(9) 0.0289(3) Uani 1 1 d . . . . .
H36 H 0.719747 0.084883 0.281310 0.035 Uiso 1 1 calc R U . . .
C18 C 0.72920(15) 0.19580(12) 0.97941(9) 0.0292(3) Uani 1 1 d . . . . .
H18 H 0.812090 0.183537 0.995701 0.035 Uiso 1 1 calc R U . . .
C48 C 1.05199(15) 0.31459(11) 0.42957(9) 0.0267(3) Uani 1 1 d . . . . .
H48 H 1.044817 0.381104 0.444447 0.032 Uiso 1 1 calc R U . . .
C6 C 0.06831(14) 0.19396(11) 1.11974(9) 0.0291(3) Uani 1 1 d . . . . .
C19 C 0.61182(16) 0.11475(11) 0.93693(9) 0.0291(3) Uani 1 1 d . . . . .
H19 H 0.613162 0.046386 0.925474 0.035 Uiso 1 1 calc R U . . .
C51 C 1.07530(16) 0.12151(11) 0.38445(9) 0.0294(3) Uani 1 1 d . . . . .
H51 H 1.082585 0.055138 0.368520 0.035 Uiso 1 1 calc R U . . .
C49 C 1.17089(15) 0.30414(12) 0.39675(9) 0.0301(3) Uani 1 1 d . . . . .
H49 H 1.243587 0.363253 0.389290 0.036 Uiso 1 1 calc R U . . .
C17 C 0.72449(15) 0.29470(11) 0.99785(9) 0.0291(3) Uani 1 1 d . . . . .
H17 H 0.803795 0.350263 1.027972 0.035 Uiso 1 1 calc R U . . .
C31 C 0.48626(15) 0.42834(11) 0.65917(9) 0.0284(3) Uani 1 1 d . . . . .
H31 H 0.416733 0.437401 0.692976 0.034 Uiso 1 1 calc R U . . .
C43 C 0.70255(15) 0.03155(11) 0.64950(10) 0.0298(3) Uani 1 1 d . . . . .
H43 H 0.662743 -0.041077 0.642606 0.036 Uiso 1 1 calc R U . . .
C50 C 1.18311(15) 0.20801(12) 0.37509(9) 0.0302(3) Uani 1 1 d . . . . .
H50 H 1.264940 0.201055 0.353859 0.036 Uiso 1 1 calc R U . . .
C30 C 0.45823(16) 0.40391(11) 0.57217(10) 0.0321(3) Uani 1 1 d . . . . .
H30 H 0.369599 0.397446 0.545315 0.039 Uiso 1 1 calc R U . . .
C38 C 0.56794(16) 0.19504(11) 0.16694(9) 0.0291(3) Uani 1 1 d . . . . .
H38 H 0.550988 0.202190 0.110733 0.035 Uiso 1 1 calc R U . . .
C23 C 0.17632(17) 0.18398(12) 0.62704(10) 0.0328(3) Uani 1 1 d . . . . .
H23 H 0.094229 0.180922 0.594306 0.039 Uiso 1 1 calc R U . . .
C3 C 0.17868(15) 0.06831(11) 1.02111(10) 0.0305(3) Uani 1 1 d . . . . .
H3 H 0.220365 0.027234 0.986352 0.037 Uiso 1 1 calc R U . . .
C25 C 0.39911(17) 0.16117(11) 0.63538(9) 0.0319(3) Uani 1 1 d . . . . .
H25 H 0.469695 0.142279 0.608391 0.038 Uiso 1 1 calc R U . . .
C33 C 0.65242(15) 0.46303(12) 0.79070(9) 0.0312(3) Uani 1 1 d . . . . .
H33A H 0.570854 0.468945 0.817130 0.047 Uiso 1 1 calc R U . . .
H33B H 0.730963 0.528138 0.809028 0.047 Uiso 1 1 calc R U . . .
H33C H 0.677976 0.407412 0.807480 0.047 Uiso 1 1 calc R U . . .
C37 C 0.64645(16) 0.13662(11) 0.18531(9) 0.0308(3) Uani 1 1 d . . . . .
H37 H 0.686520 0.104558 0.142050 0.037 Uiso 1 1 calc R U . . .
C5 C 0.09391(16) 0.11463(12) 1.15023(9) 0.0333(3) Uani 1 1 d . . . . .
H5 H 0.072184 0.103719 1.204464 0.040 Uiso 1 1 calc R U . . .
C44 C 0.74862(16) 0.09403(13) 0.72943(10) 0.0335(3) Uani 1 1 d . . . . .
H44 H 0.738114 0.064599 0.777727 0.040 Uiso 1 1 calc R U . . .
C24 C 0.27959(18) 0.15630(11) 0.58780(9) 0.0338(3) Uani 1 1 d . . . . .
H24 H 0.267982 0.133969 0.528117 0.041 Uiso 1 1 calc R U . . .
C45 C 0.80975(18) 0.19900(12) 0.73883(9) 0.0363(3) Uani 1 1 d . . . . .
H45 H 0.842377 0.241850 0.793690 0.044 Uiso 1 1 calc R U . . .
C40 C 0.43468(16) 0.31199(12) 0.21517(10) 0.0346(3) Uani 1 1 d . . . . .
H40A H 0.381334 0.322784 0.261999 0.052 Uiso 1 1 calc R U . . .
H40B H 0.370444 0.279552 0.162613 0.052 Uiso 1 1 calc R U . . .
H40C H 0.500452 0.378498 0.209877 0.052 Uiso 1 1 calc R U . . .
C4 C 0.15141(16) 0.05219(12) 1.10020(10) 0.0344(3) Uani 1 1 d . . . . .
H4 H 0.171918 -0.001308 1.120161 0.041 Uiso 1 1 calc R U . . .
C14 C 0.17861(17) 0.52196(14) 0.70182(11) 0.0394(4) Uani 1 1 d . . . . .
H14A H 0.173283 0.463778 0.656321 0.059 Uiso 1 1 calc R U . . .
H14B H 0.272132 0.574298 0.710055 0.059 Uiso 1 1 calc R U . . .
H14C H 0.108825 0.551933 0.686743 0.059 Uiso 1 1 calc R U . . .
C7 C 0.01413(17) 0.26795(13) 1.17376(11) 0.0401(4) Uani 1 1 d . . . . .
H7A H -0.040423 0.233813 1.214199 0.060 Uiso 1 1 calc R U . . .
H7B H -0.045455 0.290288 1.137913 0.060 Uiso 1 1 calc R U . . .
H7C H 0.092917 0.328023 1.204441 0.060 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -6 9 0.1066
0 6 -9 0.0972
-1 -6 -5 0.3127
4 -6 -5 0.2932
7 -2 -1 0.3382
4 3 4 0.2980
-1 6 6 0.2983
-5 -2 -3 0.3793
-5 8 0 0.2976
-1 9 -1 0.2624
-1 -8 1 0.2929
0 8 -6 0.1740
-3 8 -5 0.2162
-4 -5 5 0.3226
-7 2 0 0.4098
-4 7 -7 0.2784
-1 -6 9 0.1396
-4 1 9 0.2525
-1 0 10 0.2401
0 0 -10 0.2279
3 -1 -9 0.2200
-3 1 -9 0.2889
0 -4 -8 0.2875
-5 4 6 0.2944
0 -7 -5 0.3118
-6 7 -1 0.3365
-5 2 -6 0.3491
4 -2 7 0.2782
0 2 9 0.2703
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C21 Si1 C8 114.69(6) . . ?
C21 Si1 C15 108.54(6) . . ?
C21 Si1 C1 103.24(6) . . ?
C15 Si1 C8 108.72(6) . . ?
C15 Si1 C1 111.97(6) . . ?
C1 Si1 C8 109.65(6) . . ?
C41 Si2 C27 111.98(6) . . ?
C41 Si2 C34 105.16(6) . . ?
C47 Si2 C41 109.13(6) . . ?
C47 Si2 C27 108.61(6) . . ?
C47 Si2 C34 111.02(6) . . ?
C34 Si2 C27 110.93(6) . . ?
C35 N4 C39 118.50(12) . . ?
C28 N3 C32 118.13(12) . . ?
C13 N2 C9 118.22(11) . . ?
C6 N1 C2 118.36(12) . . ?
N2 C9 C8 116.57(11) . . ?
N2 C9 C10 122.50(12) . . ?
C10 C9 C8 120.92(12) . . ?
C26 C21 Si1 121.89(10) . . ?
C26 C21 C22 117.65(12) . . ?
C22 C21 Si1 120.20(10) . . ?
C42 C41 Si2 120.74(10) . . ?
C46 C41 Si2 122.08(10) . . ?
C46 C41 C42 117.18(12) . . ?
Si1 C8 H8A 108.7 . . ?
Si1 C8 H8B 108.7 . . ?
C9 C8 Si1 114.26(9) . . ?
C9 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
N3 C28 C29 122.62(12) . . ?
N3 C28 C27 116.24(12) . . ?
C29 C28 C27 121.11(13) . . ?
C20 C15 Si1 119.06(10) . . ?
C16 C15 Si1 123.50(10) . . ?
C16 C15 C20 117.24(12) . . ?
N4 C35 C34 117.02(12) . . ?
N4 C35 C36 122.19(13) . . ?
C36 C35 C34 120.77(12) . . ?
N1 C2 C1 117.10(12) . . ?
N1 C2 C3 122.04(13) . . ?
C3 C2 C1 120.82(13) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 C21 121.06(13) . . ?
C25 C26 H26 119.5 . . ?
C52 C47 Si2 119.44(10) . . ?
C48 C47 Si2 122.89(10) . . ?
C48 C47 C52 117.60(12) . . ?
N2 C13 C12 122.70(13) . . ?
N2 C13 C14 117.28(12) . . ?
C12 C13 C14 120.01(13) . . ?
N3 C32 C31 122.54(13) . . ?
N3 C32 C33 116.55(12) . . ?
C31 C32 C33 120.90(12) . . ?
C15 C20 H20 119.1 . . ?
C19 C20 C15 121.83(13) . . ?
C19 C20 H20 119.1 . . ?
C21 C22 H22 119.3 . . ?
C23 C22 C21 121.38(13) . . ?
C23 C22 H22 119.3 . . ?
C15 C16 H16 119.3 . . ?
C17 C16 C15 121.31(13) . . ?
C17 C16 H16 119.3 . . ?
Si1 C1 H1A 107.5 . . ?
Si1 C1 H1B 107.5 . . ?
C2 C1 Si1 119.11(9) . . ?
C2 C1 H1A 107.5 . . ?
C2 C1 H1B 107.5 . . ?
H1A C1 H1B 107.0 . . ?
C13 C12 H12 120.6 . . ?
C11 C12 C13 118.76(13) . . ?
C11 C12 H12 120.6 . . ?
C9 C10 H10 120.7 . . ?
C11 C10 C9 118.57(13) . . ?
C11 C10 H10 120.7 . . ?
N4 C39 C38 122.40(13) . . ?
N4 C39 C40 117.34(12) . . ?
C38 C39 C40 120.25(13) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 C28 118.46(13) . . ?
C30 C29 H29 120.8 . . ?
C47 C52 H52 119.4 . . ?
C51 C52 C47 121.23(13) . . ?
C51 C52 H52 119.4 . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.70(13) . . ?
C43 C42 H42 119.2 . . ?
Si2 C27 H27A 108.7 . . ?
Si2 C27 H27B 108.7 . . ?
C28 C27 Si2 114.10(9) . . ?
C28 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
Si2 C34 H34A 107.7 . . ?
Si2 C34 H34B 107.7 . . ?
C35 C34 Si2 118.61(9) . . ?
C35 C34 H34A 107.7 . . ?
C35 C34 H34B 107.7 . . ?
H34A C34 H34B 107.1 . . ?
C41 C46 H46 119.4 . . ?
C45 C46 C41 121.24(13) . . ?
C45 C46 H46 119.4 . . ?
C12 C11 C10 119.23(13) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C35 C36 H36 120.7 . . ?
C37 C36 C35 118.61(13) . . ?
C37 C36 H36 120.7 . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.47(13) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 C47 121.17(13) . . ?
C49 C48 H48 119.4 . . ?
N1 C6 C5 122.30(14) . . ?
N1 C6 C7 116.85(14) . . ?
C5 C6 C7 120.84(14) . . ?
C20 C19 C18 119.87(13) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C52 C51 H51 119.9 . . ?
C52 C51 C50 120.11(13) . . ?
C50 C51 H51 119.9 . . ?
C48 C49 H49 119.9 . . ?
C50 C49 C48 120.12(13) . . ?
C50 C49 H49 119.9 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.25(13) . . ?
C18 C17 H17 119.9 . . ?
C32 C31 H31 120.6 . . ?
C30 C31 C32 118.79(13) . . ?
C30 C31 H31 120.6 . . ?
C42 C43 H43 120.1 . . ?
C44 C43 C42 119.71(13) . . ?
C44 C43 H43 120.1 . . ?
C51 C50 H50 120.1 . . ?
C49 C50 C51 119.75(13) . . ?
C49 C50 H50 120.1 . . ?
C29 C30 H30 120.3 . . ?
C31 C30 C29 119.40(13) . . ?
C31 C30 H30 120.3 . . ?
C39 C38 H38 120.6 . . ?
C37 C38 C39 118.83(13) . . ?
C37 C38 H38 120.6 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.73(14) . . ?
C24 C23 H23 120.1 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.08(14) . . ?
C4 C3 H3 120.5 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 C26 120.08(13) . . ?
C24 C25 H25 120.0 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C37 H37 120.3 . . ?
C38 C37 C36 119.43(13) . . ?
C38 C37 H37 120.3 . . ?
C6 C5 H5 120.6 . . ?
C4 C5 C6 118.82(14) . . ?
C4 C5 H5 120.6 . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.83(13) . . ?
C45 C44 H44 120.1 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.10(13) . . ?
C25 C24 H24 119.9 . . ?
C46 C45 H45 119.8 . . ?
C44 C45 C46 120.31(14) . . ?
C44 C45 H45 119.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C3 C4 C5 119.27(14) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C21 1.8767(13) . ?
Si1 C8 1.8925(13) . ?
Si1 C15 1.8782(13) . ?
Si1 C1 1.8912(14) . ?
Si2 C41 1.8828(13) . ?
Si2 C47 1.8771(13) . ?
Si2 C27 1.8910(13) . ?
Si2 C34 1.8906(14) . ?
N4 C35 1.3451(18) . ?
N4 C39 1.3464(18) . ?
N3 C28 1.3435(19) . ?
N3 C32 1.3475(17) . ?
N2 C9 1.3462(17) . ?
N2 C13 1.3424(18) . ?
N1 C2 1.3483(18) . ?
N1 C6 1.3430(19) . ?
C9 C8 1.5030(18) . ?
C9 C10 1.3933(19) . ?
C21 C26 1.4007(19) . ?
C21 C22 1.4011(19) . ?
C41 C42 1.3999(19) . ?
C41 C46 1.3947(19) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C28 C29 1.392(2) . ?
C28 C27 1.5071(18) . ?
C15 C20 1.3996(19) . ?
C15 C16 1.3951(19) . ?
C35 C34 1.5016(18) . ?
C35 C36 1.3944(19) . ?
C2 C1 1.4964(19) . ?
C2 C3 1.393(2) . ?
C26 H26 0.9500 . ?
C26 C25 1.393(2) . ?
C47 C52 1.4048(19) . ?
C47 C48 1.3965(19) . ?
C13 C12 1.390(2) . ?
C13 C14 1.508(2) . ?
C32 C31 1.388(2) . ?
C32 C33 1.503(2) . ?
C20 H20 0.9500 . ?
C20 C19 1.388(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.395(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C12 H12 0.9500 . ?
C12 C11 1.383(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(2) . ?
C39 C38 1.388(2) . ?
C39 C40 1.502(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.386(2) . ?
C52 H52 0.9500 . ?
C52 C51 1.386(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.387(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C46 H46 0.9500 . ?
C46 C45 1.390(2) . ?
C11 H11 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.386(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(2) . ?
C18 C17 1.385(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.395(2) . ?
C6 C5 1.394(2) . ?
C6 C7 1.502(2) . ?
C19 H19 0.9500 . ?
C51 H51 0.9500 . ?
C51 C50 1.389(2) . ?
C49 H49 0.9500 . ?
C49 C50 1.381(2) . ?
C17 H17 0.9500 . ?
C31 H31 0.9500 . ?
C31 C30 1.381(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(2) . ?
C50 H50 0.9500 . ?
C30 H30 0.9500 . ?
C38 H38 0.9500 . ?
C38 C37 1.379(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(2) . ?
C25 H25 0.9500 . ?
C25 C24 1.381(2) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C37 H37 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.381(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.377(2) . ?
C24 H24 0.9500 . ?
C45 H45 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C4 H4 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C21 C26 C25 174.08(11) . . . . ?
Si1 C21 C22 C23 -174.37(11) . . . . ?
Si1 C15 C20 C19 174.48(11) . . . . ?
Si1 C15 C16 C17 -173.74(10) . . . . ?
Si2 C41 C42 C43 -178.65(10) . . . . ?
Si2 C41 C46 C45 177.56(11) . . . . ?
Si2 C47 C52 C51 -176.12(11) . . . . ?
Si2 C47 C48 C49 176.06(11) . . . . ?
N4 C35 C34 Si2 -100.43(13) . . . . ?
N4 C35 C36 C37 -1.3(2) . . . . ?
N4 C39 C38 C37 -1.8(2) . . . . ?
N3 C28 C29 C30 -1.2(2) . . . . ?
N3 C28 C27 Si2 94.72(13) . . . . ?
N3 C32 C31 C30 0.2(2) . . . . ?
N2 C9 C8 Si1 -85.93(13) . . . . ?
N2 C9 C10 C11 0.0(2) . . . . ?
N2 C13 C12 C11 -0.7(2) . . . . ?
N1 C2 C1 Si1 88.30(13) . . . . ?
N1 C2 C3 C4 3.6(2) . . . . ?
N1 C6 C5 C4 3.0(2) . . . . ?
C9 N2 C13 C12 1.64(19) . . . . ?
C9 N2 C13 C14 -176.93(12) . . . . ?
C9 C10 C11 C12 0.9(2) . . . . ?
C21 Si1 C8 C9 51.03(11) . . . . ?
C21 Si1 C15 C20 -63.26(12) . . . . ?
C21 Si1 C15 C16 111.50(11) . . . . ?
C21 Si1 C1 C2 167.36(10) . . . . ?
C21 C26 C25 C24 0.0(2) . . . . ?
C21 C22 C23 C24 0.3(2) . . . . ?
C41 Si2 C47 C52 55.98(12) . . . . ?
C41 Si2 C47 C48 -120.94(12) . . . . ?
C41 Si2 C27 C28 -54.16(12) . . . . ?
C41 Si2 C34 C35 -169.37(10) . . . . ?
C41 C42 C43 C44 1.0(2) . . . . ?
C41 C46 C45 C44 1.2(2) . . . . ?
C8 Si1 C21 C26 118.42(11) . . . . ?
C8 Si1 C21 C22 -67.70(12) . . . . ?
C8 Si1 C15 C20 171.36(10) . . . . ?
C8 Si1 C15 C16 -13.88(13) . . . . ?
C8 Si1 C1 C2 -69.98(12) . . . . ?
C8 C9 C10 C11 -178.76(12) . . . . ?
C28 N3 C32 C31 -2.25(19) . . . . ?
C28 N3 C32 C33 176.27(12) . . . . ?
C28 C29 C30 C31 -0.9(2) . . . . ?
C15 Si1 C21 C26 -3.37(13) . . . . ?
C15 Si1 C21 C22 170.51(10) . . . . ?
C15 Si1 C8 C9 172.72(9) . . . . ?
C15 Si1 C1 C2 50.79(12) . . . . ?
C15 C20 C19 C18 -0.9(2) . . . . ?
C15 C16 C17 C18 -0.1(2) . . . . ?
C35 N4 C39 C38 0.22(19) . . . . ?
C35 N4 C39 C40 -178.34(12) . . . . ?
C35 C36 C37 C38 -0.3(2) . . . . ?
C2 N1 C6 C5 -1.0(2) . . . . ?
C2 N1 C6 C7 178.18(12) . . . . ?
C2 C3 C4 C5 -1.6(2) . . . . ?
C26 C21 C22 C23 -0.2(2) . . . . ?
C26 C25 C24 C23 0.1(2) . . . . ?
C47 Si2 C41 C42 -82.22(11) . . . . ?
C47 Si2 C41 C46 98.28(12) . . . . ?
C47 Si2 C27 C28 -174.74(10) . . . . ?
C47 Si2 C34 C35 -51.48(12) . . . . ?
C47 C52 C51 C50 0.1(2) . . . . ?
C47 C48 C49 C50 -0.2(2) . . . . ?
C13 N2 C9 C8 177.53(11) . . . . ?
C13 N2 C9 C10 -1.32(19) . . . . ?
C13 C12 C11 C10 -0.6(2) . . . . ?
C32 N3 C28 C29 2.77(19) . . . . ?
C32 N3 C28 C27 -175.34(11) . . . . ?
C32 C31 C30 C29 1.4(2) . . . . ?
C20 C15 C16 C17 1.1(2) . . . . ?
C22 C21 C26 C25 0.1(2) . . . . ?
C22 C23 C24 C25 -0.3(2) . . . . ?
C16 C15 C20 C19 -0.6(2) . . . . ?
C1 Si1 C21 C26 -122.34(11) . . . . ?
C1 Si1 C21 C22 51.54(12) . . . . ?
C1 Si1 C8 C9 -64.56(11) . . . . ?
C1 Si1 C15 C20 50.06(12) . . . . ?
C1 Si1 C15 C16 -135.18(11) . . . . ?
C1 C2 C3 C4 -174.11(13) . . . . ?
C10 C9 C8 Si1 92.94(13) . . . . ?
C39 N4 C35 C34 -177.21(11) . . . . ?
C39 N4 C35 C36 1.36(19) . . . . ?
C39 C38 C37 C36 1.8(2) . . . . ?
C29 C28 C27 Si2 -83.42(14) . . . . ?
C52 C47 C48 C49 -0.9(2) . . . . ?
C52 C51 C50 C49 -1.3(2) . . . . ?
C42 C41 C46 C45 -2.0(2) . . . . ?
C42 C43 C44 C45 -1.8(2) . . . . ?
C27 Si2 C41 C42 157.51(11) . . . . ?
C27 Si2 C41 C46 -22.00(13) . . . . ?
C27 Si2 C47 C52 178.31(11) . . . . ?
C27 Si2 C47 C48 1.39(13) . . . . ?
C27 Si2 C34 C35 69.38(12) . . . . ?
C27 C28 C29 C30 176.81(12) . . . . ?
C34 Si2 C41 C42 36.95(12) . . . . ?
C34 Si2 C41 C46 -142.56(11) . . . . ?
C34 Si2 C47 C52 -59.47(12) . . . . ?
C34 Si2 C47 C48 123.61(12) . . . . ?
C34 Si2 C27 C28 62.98(12) . . . . ?
C34 C35 C36 C37 177.20(13) . . . . ?
C46 C41 C42 C43 0.9(2) . . . . ?
C36 C35 C34 Si2 80.97(15) . . . . ?
C48 C47 C52 C51 1.0(2) . . . . ?
C48 C49 C50 C51 1.3(2) . . . . ?
C6 N1 C2 C1 175.52(11) . . . . ?
C6 N1 C2 C3 -2.27(19) . . . . ?
C6 C5 C4 C3 -1.5(2) . . . . ?
C19 C18 C17 C16 -1.4(2) . . . . ?
C17 C18 C19 C20 1.8(2) . . . . ?
C43 C44 C45 C46 0.7(2) . . . . ?
C3 C2 C1 Si1 -93.88(14) . . . . ?
C33 C32 C31 C30 -178.27(13) . . . . ?
C40 C39 C38 C37 176.73(14) . . . . ?
C14 C13 C12 C11 177.86(14) . . . . ?
C7 C6 C5 C4 -176.23(14) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0778 -6.1406 8.8915 -0.9966 -0.0793 0.0209
0.3866 5.9723 -8.8735 0.9927 0.0792 -0.0914
-1.0296 -5.6165 -5.3983 -0.0773 0.9585 0.2744
4.3554 -6.4298 -4.8586 -0.0635 0.8255 -0.5608
6.6078 -2.3130 -0.5441 -0.0001 0.0494 -0.9988
4.2147 2.9634 3.7250 0.0574 -0.6860 -0.7253
-0.8287 6.4183 5.6902 0.0793 -0.9968 0.0034
-4.7320 -2.3090 -3.2481 -0.0512 0.6056 0.7941
-4.5837 8.2586 -0.3348 0.5173 -0.6080 0.6023
-0.5945 8.7623 -0.6289 0.6499 -0.7595 -0.0280
-1.1067 -7.8956 0.6720 -0.6245 0.7284 0.2818
-0.2167 8.1537 -5.8115 0.9419 -0.3325 -0.0467
-2.7962 8.4470 -5.3475 0.8828 -0.3130 0.3503
-3.7203 -5.1526 4.6821 -0.7348 0.2574 0.6276
-6.5660 1.8536 0.3845 -0.0216 0.0043 0.9998
-4.1283 6.7082 -6.5045 0.8065 -0.0221 0.5909
-1.1944 -5.6062 8.7357 -0.9738 -0.0780 0.2135
-3.5225 0.7229 9.2152 -0.6007 -0.6355 0.4850
-1.2567 -0.0298 10.3487 -0.6814 -0.7196 0.1339
0.4586 0.2813 -10.4141 0.6877 0.7259 -0.0120
3.4163 -0.6862 -9.3056 0.6069 0.6421 -0.4684
-2.7821 1.2368 -9.0626 0.6064 0.6386 0.4737
-0.4569 -3.7673 -7.9947 0.2294 0.9576 0.1743
-5.0415 4.4378 6.0596 -0.1673 -0.7049 0.6893
0.4549 -6.8980 -4.7097 -0.1827 0.9816 0.0560
-5.7826 6.8230 -0.8306 0.4232 -0.3986 0.8136
-5.0654 2.3344 -6.1640 0.4562 0.3939 0.7980
4.4784 -2.2868 7.2193 -0.5311 -0.4576 -0.7132
0.3577 2.1495 9.2389 -0.4249 -0.8939 -0.1433
